N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

C24H26N4O — CID 53108719

IUPACN-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)cc1
InChIInChI=1S/C24H26N4O/c1-17(2)18-8-10-22(11-9-18)27-23(29)20-7-5-6-19(14-20)21-15-25-24(26-16-21)28-12-3-4-13-28/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,27,29)
InChIKeySJARQMGMIUAUCX-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.12
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53108719) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53108719
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)cc1
InChIInChI=1S/C24H26N4O/c1-17(2)18-8-10-22(11-9-18)27-23(29)20-7-5-6-19(14-20)21-15-25-24(26-16-21)28-12-3-4-13-28/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,27,29)
InChIKeySJARQMGMIUAUCX-UHFFFAOYSA-N
XLogP5.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
N-[(4-propan-2-ylphenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108749
N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108802
N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108798
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108537
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108527
N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108739
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108581

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (CID 53108719) is N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is CC(C)c1ccc(NC(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is SJARQMGMIUAUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17(2)18-8-10-22(11-9-18)27-23(29)20-7-5-6-19(14-20)21-15-25-24(26-16-21)28-12-3-4-13-28/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,27,29).
What are the key properties of N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53108719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).